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Ho5RhAu4

Alexandria ALEX

Alex-ID: agm003646133 · Space group: P4/mmm (#123)

Basic Information

Formula
Ho5RhAu4
Alex-ID
agm003646133
Elements
3
Sites
10
Space group
P4/mmm (#123)
Crystal system
tetragonal
Volume
223.52
ų
Cell a
3.5414
Å
Cell b
3.5414
Å
Cell c
17.8228
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho5RhAu4
Ho
5.00 · 50.0%
Rh
1.00 · 10.0%
Au
4.00 · 40.0%

Energy & Stability

Energy above hull
0.0207
eV/atom
Formation energy
-0.8744
eV/atom
Corrected total energy
-52.0974
eV
Raw total energy
-52.0974
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
4.6311
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4C5_22_spg123

Decomposition

Ho3RhAu2 HoAu

Computed at

2022-04-07 22:11:55.319520

Citation

Alexandria website
https://alexandria.icams.rub.de/
Attribution

The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003646133).

Reference

Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620

BibTeX
@article{Cavignac2026Alexandria,
  author  = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
             and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
             and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
             and Marques, Miguel A. L.},
  title   = {{AI}-Driven expansion and application of the {A}lexandria database},
  journal = {Journal of Physics: Materials},
  year    = {2026},
  volume  = {9},
  number  = {2},
  pages   = {025014},
  doi     = {10.1088/2515-7639/ae6620},
  url     = {https://doi.org/10.1088/2515-7639/ae6620}
}

3D Crystal Structure Rendering

Loading 3D structure…

Style: Ball & Stick
Raw CIF Data
# CIF generated by HEAS from Alexandria entry agm003646133
data_agm003646133
_cell_length_a     3.54140
_cell_length_b     3.54140
_cell_length_c     17.82275
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       223.52394
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
  Ho1 Ho 0.50000 0.50000 0.09209 1.00000
  Ho2 Ho 0.50000 0.50000 0.29528 1.00000
  Ho3 Ho 0.50000 0.50000 0.50000 1.00000
  Ho4 Ho 0.50000 0.50000 0.70472 1.00000
  Ho5 Ho 0.50000 0.50000 0.90791 1.00000
  Rh1 Rh 0.00000 0.00000 0.00000 1.00000
  Au1 Au 0.00000 0.00000 0.19423 1.00000
  Au2 Au 0.00000 0.00000 0.39886 1.00000
  Au3 Au 0.00000 0.00000 0.60114 1.00000
  Au4 Au 0.00000 0.00000 0.80577 1.00000
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